2-[(2-carboxyphenyl)sulfanyl-(3-chlorophenyl)methyl]sulfanylbenzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)sulfanyl-(3-chlorophenyl)methyl]sulfanylbenzoic acid Openeye Name: 2-[(2-carboxyphenyl)sulfanyl-(3-chlorophenyl)methyl]sulfanylbenzoic acid CAS Name: 2-[[[(2-carboxyphenyl)thio]-(3-chlorophenyl)methyl]thio]benzoic acid IUPAC Name: 2-[(2-carboxyphenyl)sulfanyl-(3-chlorophenyl)methyl]sulfanylbenzoic acid Traditional Name: 2-[[[(2-carboxyphenyl)thio]-(3-chlorophenyl)methyl]thio]benzoic acid Formula: C21H15ClO4S2 MolecularWeight: 430.9244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC(C2=CC(=CC=C2)Cl)SC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC(C2=CC(=CC=C2)Cl)SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H15ClO4S2/c22-14-7-5-6-13(12-14)21(27-17-10-3-1-8-15(17)19(23)24)28-18-11-4-2-9-16(18)20(25)26/h1-12,21H,(H,23,24)(H,25,26)